4-bromo-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0081 |
| Compound Name: | 4-bromo-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.42 |
| Molecular Formula: | C21 H30 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCC(CC1)N(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2859 |
| logD: | 2.458 |
| logSw: | -3.3034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.085 |
| InChI Key: | SHQOGGCFPYBMDA-UHFFFAOYSA-N |